Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Basic information
- CAS
10139-04-5- Standard SMILES
CC(=O)N[C@H]1[C@@H](Oc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
ZUJDLWWYFIZERS-KSTCHIGDSA-N- Molecular formula
- C14H19NO6
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.12123733
Overview
Phenyl N-acetyl-alpha-D-glucosaminide is an N-acetyl-alpha-D-glucosaminide having phenyl as the anomeric substituent.
Names & identifiers
- Preferred name
- Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
- IUPAC
- N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
- English name
- PHENYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
- Molecular formula
- C14H19NO6
- Molecular weight
- 297.3
Names & synonyms
10139-04-5Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranosidePhenyl N-Acetyl-alpha-D-glucosaminidePhenyl 2-acetamido-2-deoxy-a-D-glucopyranosideN-((2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-phenoxytetrahydro-2H-pyran-3-yl)acetamideCHEBI:61628phenyl alpha-N-acetyl-D-glucosaminidealpha-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-phenyl 2-acetamido-2-deoxy-alpha-D-glucosideEINECS 233-393-4N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamidePhenyl 2-acetamido-2-deoxy-?-D-glucopyranoside
Show more names
PH-ALPHA-D-GALNACPH-ALPHA-D-GLCNAC4-(335-Butyl)phenolPhenyl-N-Acetyl-A-D-Phenyl N-acetyl-α-D-glucosaminidephenyl N-acetyl-A-D-glucosaminide-2-phenoxytetrahydro-2H-pyran-3-yl)PHENYL-N-ACETYL-ALPHA-D-GLUCOSAMINIDEPHENYL N-ACETYL-ALPHA-D-GALACTOSAMINIDESS-PHENYL-N-ACETYL-ALPHA-D-GLUCOSAMINIDE
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 241 °C · 241 °C
- Boiling point
- 600.8 · 600.8±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.85 · 12.85±0.70(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 10139 · 10139-04-5(CAS DataBase Reference)
- WGK Germany
- 3 · 3
- HS Code
- 29389090 · 29389090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29389090
Chemistry & industry
Additional notes
DefinitionChEBI: An N-acetyl-alpha-D-glucosaminide having phenyl as the anomeric substituent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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